Vibration and two-photon absorption

A treatment of nuclear vibrational motions in two-photon absorption is laid out in detail. Perturbation theory is used to develop working formulas for diatomic molecules and tested for the X 1Σ+–A 1Π transition of carbon monoxide. The results are compared with the exact numerical values. Certain vibrational contributions, not previously recognized, are found to make an important contribution to the two-photon absorption probability.

[1]  Thierry Kogej,et al.  Mechanisms for enhancement of two-photon absorption in donor–acceptor conjugated chromophores , 1998 .

[2]  D. M. Bishop,et al.  Molecular vibrational and rotational motion in static and dynamic electric fields , 1990 .

[3]  D. Doddrell,et al.  Reverse polarization transfer through maximum order multiple-quantum coherence: A reverse pommie sequence , 1984 .

[4]  P. N. Butcher,et al.  The Elements of Nonlinear Optics , 1990 .

[5]  Yi Luo,et al.  One- and Two-Photon Absorption Spectra of Short Conjugated Polyenes , 1994 .

[6]  Jeppe Olsen,et al.  Linear response calculations for large scale multiconfiguration self‐consistent field wave functions , 1988 .

[7]  Response theory calculations of the vibronically induced 1A1g−1B2u two-photon spectrum of benzene , 1993 .

[8]  B. Honig,et al.  Theoretical Studies of Two‐Photon Absorption Processes. I. Molecular Benzene , 1967 .

[9]  J. Olsen,et al.  Linear and nonlinear response functions for an exact state and for an MCSCF state , 1985 .

[10]  A. Painelli,et al.  Vibronic contributions to resonant NLO responses: two-photon absorption in push–pull chromophores , 2001, physics/0106085.

[11]  E. W. Stryland,et al.  Third- and fifth-order optical nonlinearities in organic materials , 1994 .

[12]  D. M. Bishop,et al.  Dipole polarizability formulae , 1980 .

[13]  W. Webb,et al.  Design of organic molecules with large two-photon absorption cross sections. , 1998, Science.

[14]  F. Iachello,et al.  ANALYTIC AND ALGEBRAIC EVALUATION OF FRANCK-CONDON OVERLAP INTEGRALS , 1998 .

[15]  H. Ågren,et al.  Structure-to-property relations for two-photon absorption of hydrocarbon oligomers , 1998 .

[16]  Benoît Champagne,et al.  Nonlinear optical properties of quasilinear conjugated oligomers, polymers and organic molecules , 1997 .

[17]  P. Jørgensen,et al.  Multiconfigurational quadratic response theory calculations of two-photon electronic transition probabilities of H2O , 1993 .

[18]  T. Dunning,et al.  Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions , 1992 .

[19]  R. Field,et al.  Reinvestigation of the CO A1Π state and its perturbations: The v = 0 level , 1987 .

[20]  D. M. Bishop,et al.  A perturbation method for calculating vibrational dynamic dipole polarizabilities and hyperpolarizabilities , 1991 .

[21]  J. Olsen,et al.  A multiconfiguration self‐consistent‐field response study of one‐ and two‐photon dipole transitions between the X 1Σ+ and A 1Π states of CO , 1995 .

[22]  Paras N. Prasad,et al.  ERRATUM: Nonlinear multiphoton processes in organic and polymeric materials , 1996 .

[23]  D. M. Bishop,et al.  Differences between the exact sum-over-states and the canonical approximation for the calculation of static and dynamic hyperpolarizabilities , 1997 .

[24]  P. Jørgensen,et al.  A multiconfigurational time-dependent hartree-fock approach , 1979 .

[25]  The two-photon spectrum of pyrimidine. Role of vibronic coupling , 1993 .

[26]  H. Ågren,et al.  LARGE TWO-PHOTON ABSORPTION CROSS SECTIONS IN TWO-DIMENSIONAL, CHARGE-TRANSFER, CUMULENE-CONTAINING AROMATIC MOLECULES , 1999 .

[27]  George I. Stegeman,et al.  Material figures of merit and implications to all-optical waveguide switching , 1993, Photonics West - Lasers and Applications in Science and Engineering.

[28]  Yi Luo,et al.  Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures , 2000 .

[29]  J. Perry,et al.  Two-photon absorption and broadband optical limiting with bis-donor stilbenes. , 1997, Optics letters.

[30]  H. Ågren,et al.  Indirect nuclear spin–spin coupling constants from multiconfiguration linear response theory , 1992 .

[31]  W. Byers Brown,et al.  Recent Developments in Perturbation Theory , 1964 .

[32]  D. M. Bishop,et al.  Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations , 2001 .

[33]  Yi Luo,et al.  Simulations of vibronic profiles in two-photon absorption , 2000 .

[34]  J. Strickler,et al.  Three-dimensional optical data storage in refractive media by two-photon point excitation. , 1991, Optics letters.

[35]  D. M. Bishop.  Explicit nondivergent formulas for atomic and molecular dynamic hyperpolarizabilities , 1994 .

[36]  C. R. Vidal,et al.  Interaction of a magnetic field with the a′3Σ+–A1Π complex in CO , 1998 .

[37]  Benoît Champagne,et al.  Relationship between static vibrational and electronic hyperpolarizabilities of π-conjugated push–pull molecules within the two-state valence-bond charge-transfer model , 1998 .

[38]  B. Honig,et al.  Theoretical Studies of Two‐Photon Absorption Processes. II. Model Calculations , 1967 .

[39]  Brian J. Orr,et al.  Perturbation theory of the non-linear optical polarization of an isolated system , 1971 .

[40]  Paras N. Prasad,et al.  Highly Active Two-Photon Dyes: Design, Synthesis, and Characterization toward Application , 1998 .

[41]  J. Olsen,et al.  Quadratic response functions for a multiconfigurational self‐consistent field wave function , 1992 .

[42]  D. M. Bishop,et al.  ADDITIONAL COMPACT FORMULAS FOR VIBRATIONAL DYNAMIC DIPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES , 1998 .

[43]  T. H. Dunning.  Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen , 1989 .

[44]  P. Fischer,et al.  Phenomenological damping in optical response tensors , 2000 .

[45]  P. Callis.  Two-photon-induced fluorescence. , 1997, Annual review of physical chemistry.